CID 19862182

N-methyl-1-phenylpyrrolidin-3-amine

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

CNC1CCN(C1)C2=CC=CC=C2

InChI

InChI=1S/C11H16N2/c1-12-10-7-8-13(9-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3

InChIKey

XGVQVOOFPKHRFD-UHFFFAOYSA-N

Compound name

N-methyl-1-phenylpyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 176.13135 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	177.13863	140.3
[M+Na]+	199.12057	151.9
[M+NH4]+	194.16517	149.7
[M+K]+	215.09451	146.3
[M-H]-	175.12407	144.6
[M+Na-2H]-	197.10602	148.1
[M]+	176.13080	143.0
[M]-	176.13190	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe